SCHEMBL11633880

SCHEMBL11633880

O=C1c2cccc3cccc(c23)C(O)N1CCN1CCCC(CCCc2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 11/20 0.46
▸ CHRNA4 P43681 11/20 0.46
▸ CHRNB4 P30926 11/20 0.46
▸ CHRNA3 P32297 11/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ SLC6A2 P23975 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ GRIN1 Q05586 1/20 0.39
▸ GRIN2B Q13224 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HTR2A P28223 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11633834 0.89 CARM1 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3L3MBTL1
SCHEMBL11632598 0.89 L3MBTL1 (0.49) CHRNB2CHRNA4CHRNB4CHRNA3L3MBTL1
SCHEMBL11629421 0.86 L3MBTL1 (0.48) CHRNB2CHRNA4CHRNB4CHRNA3L3MBTL1
SCHEMBL11633867 0.84 L3MBTL1 (0.54) L3MBTL1GRIN1GRIN2BSIGMAR1KDM4E
SCHEMBL11628957 0.83 L3MBTL1 (0.51) L3MBTL1KDM4EALDH1A1GAAMAPT
SCHEMBL11744576 0.83 L3MBTL1 (0.53) L3MBTL1GRIN1GRIN2BSIGMAR1KDM4E
SCHEMBL11632481 0.82 L3MBTL1 (0.49) L3MBTL1SIGMAR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL11629077 0.82 L3MBTL1 (0.56) L3MBTL1KDM4EALDH1A1GAAMAPT
SCHEMBL11630402 0.80 L3MBTL1 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3L3MBTL1
SCHEMBL11634062 0.80 L3MBTL1 (0.43) L3MBTL1ALDH1A1GAAMAPTSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4077958-A ANTIDEPRESSANTS E. R. SQUIBB & SONS, INC. (US) 1978-03-07 — — US disclosed
US-4007191-A ANTIDEPRESSANT E. R. SQUIBB & SONS, INC. (US) 1977-02-08 — — US disclosed
Send feedback